2-[[(3S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[(3S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(3S)-1-(2-benzyloxyethyl)-1-methyl-pyrrolidin-1-ium-3-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(3S)-1-methyl-1-(2-phenylmethoxyethyl)-3-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(3S)-1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[[(3S)-1-(2-benzoxyethyl)-1-methyl-pyrrolidin-1-ium-3-yl]methoxy]-2-keto-1,1-diphenyl-ethanolate Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC[C@@H](C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])CCOCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO4/c1-30(19-20-33-22-24-11-5-2-6-12-24)18-17-25(21-30)23-34-28(31)29(32,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,25H,17-23H2,1H3/t25-,30?/m0/s1